5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one

C6H7FN2O3 — CID 175046934

IUPAC5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc(OC)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O3/c1-11-5-3(7)4(10)8-6(9-5)12-2/h1-2H3,(H,8,9,10)
InChIKeyVXFQGYUZKCQSQS-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.07
Rot. Bonds2

About 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one

5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one (PubChem CID 175046934) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one
PubChem CID175046934
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc(OC)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O3/c1-11-5-3(7)4(10)8-6(9-5)12-2/h1-2H3,(H,8,9,10)
InChIKeyVXFQGYUZKCQSQS-UHFFFAOYSA-N
XLogP-0.07
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methoxy-1H-pyrimidin-6-one
CID 129239113
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
5-fluoro-4-methoxy-1H-pyrimidin-6-one
CID 149006050
6-amino-5-fluoro-2-methoxypyrimidin-4(1H)-one
CID 136935015

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one (CID 175046934) is 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one is COc1nc(OC)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one?
The InChIKey is VXFQGYUZKCQSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c1-11-5-3(7)4(10)8-6(9-5)12-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one?
5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one has a molecular weight of 174.13 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 175046934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).